CID 76684

3216-99-7

Structural Information

Molecular Formula
C10H19N5
SMILES
C(CNCCNCCNCCC#N)C#N
InChI
InChI=1S/C10H19N5/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h13-15H,1-2,5-10H2
InChIKey
MGXGZXIKVYRCGW-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-cyanoethylamino)ethylamino]ethylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

326
Patents

209.16405 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.17133 153.3
[M+Na]+ 232.15327 158.7
[M-H]- 208.15677 154.4
[M+NH4]+ 227.19787 164.8
[M+K]+ 248.12721 158.3
[M+H-H2O]+ 192.16131 137.7
[M+HCOO]- 254.16225 167.1
[M+CH3COO]- 268.17790 224.1
[M+Na-2H]- 230.13872 156.1
[M]+ 209.16350 145.4
[M]- 209.16460 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe